› 5xhk

X-ray diffraction
1.28Å resolution

Crystal structure of the BRD2-BD2 in complex with phenanthridinone

Released:
DOI: 10.2210/pdb5xhk/pdb
PDB entry 5xhk coloured by chain, front view.
PDB entry 5xhk coloured by chain, side view.
PDB entry 5xhk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs.
Mathur S, Deshmukh P, Tripathi S, Marimuthu P, Padmanabhan B
J Biomol Struct Dyn 36 2342-2360 (2018)
PMID: 28696179

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150461 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 2 Chain: A
Molecule details ›
Chain: A
Length: 115 amino acids
Theoretical weight: 13.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P25440 (Residues: 348-455; Coverage: 14%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand GOL 2 x GOL
Ligand 2ME 1 x 2ME
Ligand LDR 1 x LDR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Unit cell:
a: 32.04Å b: 52.51Å c: 71.37Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.157 0.192
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

Molecular Dynamic Simulations of Bromodomain and Extra-Terminal Protein 4 Bonded to Potent Inhibitors.
Chen et al. (2021)
2 more

3 mentions without citation

Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose Metadynamics.
Fusani et al. (2020)
2 more